Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “SiS4”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

66 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GaSi(MoS2)4 by Materials Project

GaSi(MoS2)4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo+2.25+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (2.36 Å) and three longer (2.93 Å) Mo–S bond lengths. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent SiS4 tetrahedra. All Ga–S bond lengths are 2.50 Å. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra. All Si–S bond lengths are 2.09 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted linear geometry to three equivalent Mo+2.25+, one Ga3+, and one Si4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo+2.25+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2Si2S5 by Materials Project

Na2Si2S5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.96–3.39 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.88–3.45 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four S2- atoms to form corner-sharing SiS4 tetrahedra. There are a spread of Si–S bond distances ranging from 2.06–2.17 Å. In the second Si4+ site, Si4+ is bonded to four S2- atoms to form corner-sharing SiS4 tetrahedra. There are a spread of Si–S bond distances ranging from 2.08–2.17 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two Na1+ and two Si4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent Si4+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four Na1+ and one Si4+ atom. In the fourth S2- site, S2- is bonded to three Na1+ and one Si4+ atom to form distorted corner-sharing SNa3Si tetrahedra. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu2SiPbS4 by Materials Project

Cu2PbSiS4 crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with four equivalent SiS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.29–2.39 Å. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 3.03–3.21 Å. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share corners with eight equivalent CuS4 tetrahedra. All Si–S bond lengths are 2.15 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal planar geometry to two equivalent Cu1+, two equivalent Pb2+, and one Si4+ atom. In the second S2- site, S2- is bonded in a distorted trigonal planar geometry to two equivalent Cu1+, two equivalent Pb2+, and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3SiS6Cl by Materials Project

Nd3SiS6Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to seven S2- atoms to form distorted NdS7 pentagonal bipyramids that share edges with two equivalent SiS4 tetrahedra. There are a spread of Nd–S bond distances ranging from 2.79–3.00 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to six S2- and two equivalent Cl1- atoms. There are a spread of Nd–S bond distances ranging from 2.78–3.09 Å. There are one shorter (2.93 Å) and one longer (2.94 Å) Nd–Cl bond lengths. In the third Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Nd–S bond distances ranging from 2.88–3.25 Å. In the fourth Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to seven S2- and one Cl1- atom. There are a spread of Nd–S bond distances ranging from 2.77–3.34 Å. The Nd–Cl bond length is 2.86 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.12 Å) and three longer (2.13 Å) Si–S bond lengths. In the second Si4+ site, Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share edges with two equivalent NdS7 pentagonal bipyramids. There are three shorter (2.13 Å) and one longer (2.16 Å) Si–S bond lengths. There are nine inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three Nd3+ and one Si4+ atom. In the second S2- site, S2- is bonded to four Nd3+ atoms to form a mixture of distorted corner and edge-sharing SNd4 trigonal pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three Nd3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded to four Nd3+ atoms to form a mixture of distorted corner and edge-sharing SNd4 tetrahedra. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Nd3+ and one Si4+ atom. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three Nd3+ and one Si4+ atom. In the seventh S2- site, S2- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the eighth S2- site, S2- is bonded to three Nd3+ and one Si4+ atom to form a mixture of distorted corner and edge-sharing SNd3Si trigonal pyramids. In the ninth S2- site, S2- is bonded in a 4-coordinate geometry to three Nd3+ and one Si4+ atom. Cl1- is bonded in a 3-coordinate geometry to three Nd3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2SiSnS4 by Materials Project

Li2SnSiS4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form distorted LiS4 trigonal pyramids that share corners with four equivalent SiS4 tetrahedra and corners with four equivalent LiS4 trigonal pyramids. All Li–S bond lengths are 2.45 Å. Sn2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (3.07 Å) and four longer (3.17 Å) Sn–S bond lengths. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with eight equivalent LiS4 trigonal pyramids. All Si–S bond lengths are 2.14 Å. S2- is bonded in a 3-coordinate geometry to two equivalent Li1+, two equivalent Sn2+, and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe2SiS4 by Materials Project

Fe2SiS4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with six equivalent SiS4 tetrahedra and edges with six equivalent FeS6 octahedra. All Fe–S bond lengths are 2.44 Å. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with twelve equivalent FeS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Si–S bond lengths are 2.18 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe2+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Structural Investigation of Six Quinary Sulfides Synthesized via the Flux-Assisted Boron-Chalcogen Mixture (BCM) Method: Eu 2+ Containing Members of the RE 3 MTQ 7 (M and T = Transition or Main Group Metals, Q = Chalcogens) Family

For this work, a series of six quinary rare-earth sulfides Ce 4+ 1.85 Eu 2+ 1.15 Na 0.30 SiS 7 , Ce 4+ 1.91 Eu 2+ 1.09 K 0.18 SiS 7 , Ce 4+ 1.96 Eu 2+ 1.04 Rb 0.08 SiS 7 , Ce 4+ 1.98 Eu 2+ 1.02 Cs 0.05 SiS 7 , Ce 4+ 1.97 Eu 2+ 1.03 Ag 0.06 SiS 7 , and Ce 4+ 1.50 Eu 2+ 1.50 CuSiS 7 were obtained in an alkali iodide flux using the boron-chalcogen mixture (BCM) method. Single crystal X-ray diffraction was used to determine the structures of the high quality single crystals that were grown; their elemental compositions were confirmed by energy-dispersive spectroscopy (EDS). The compounds crystallize in the hexagonal crystal system in the noncentrosymmetric space group P63. The crystal structure consists of a three-dimensional network composed of mixed cerium and europium bicapped trigonal prisms, isolated SiS4 tetrahedra, and monovalent metals (Na, K, Rb, Cs, Ag, and Cu) located in cavities created by linked Ce/EuS 8 polyhedra. The structures are charge-balanced when Ce and Eu are in their +4 and +2 oxidation states, respectively. The effective magnetic moment of Ce 1.50 4+ Eu 1.50 2+ CuSiS 7 determined from the temperature dependence of the magnetic susceptibility data is consistent with the presence of Ce 4+ and Eu 2+ . Clear correlations between the alkali ion site occupancy, the ionic radius of the alkali cations, and the average bond length of Ce 4+ /Eu 2+ –S, were established. UV–vis diffuse reflectance data were collected for Ce 1.50 4+ Eu 1.50 2+ CuSiS 7 and a band gap of 1.9(1) eV was established.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Materials Data on SiS2 by Materials Project

SiS2 is Silicon Disuphide structured and crystallizes in the orthorhombic Ibam space group. The structure is one-dimensional and consists of two SiS2 ribbons oriented in the (1, 0, 0) direction. Si4+ is bonded to four equivalent S2- atoms to form edge-sharing SiS4 tetrahedra. All Si–S bond lengths are 2.15 Å. S2- is bonded in an L-shaped geometry to two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Si2S8I by Materials Project

Ce3(SiS4)2I crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to eight S2- and one I1- atom. There are a spread of Ce–S bond distances ranging from 2.94–3.11 Å. The Ce–I bond length is 3.49 Å. In the second Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to eight S2- and one I1- atom. There are a spread of Ce–S bond distances ranging from 2.91–3.29 Å. The Ce–I bond length is 3.30 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.14 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Ce3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ce3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom. I1- is bonded in a 3-coordinate geometry to three Ce3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiS2 by Materials Project

SiS2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Si4+ is bonded to four equivalent S2- atoms to form corner-sharing SiS4 tetrahedra. All Si–S bond lengths are 2.15 Å. S2- is bonded in a water-like geometry to two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl2SiS3 by Materials Project

Tl2SiS3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.04–3.69 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.08–3.98 Å. Si4+ is bonded to four S2- atoms to form edge-sharing SiS4 tetrahedra. There are a spread of Si–S bond distances ranging from 2.10–2.19 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one Si4+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to five Tl1+ and two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiS2 by Materials Project

SiS2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SiS2 sheet oriented in the (0, 0, 1) direction. Si4+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing SiS4 tetrahedra. There are a spread of Si–S bond distances ranging from 2.14–2.16 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent Si4+ atoms. In the second S2- site, S2- is bonded in an L-shaped geometry to two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗